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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
2-[(2R,3R,3aR,6S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid
498.70
6.4
3
5
94.83
10
(2R,3R,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
502.70
5.8
4
6
115.06
2
[(1R,3R,4R,5R,7S,8R,9R,10E,12S,13S,14S)-4-acetyloxy-13-hydroxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] (Z)-2-methylbut-2-enoate
504.60
2.8
1
8
111.66
6
Littorachalcone
514.50
5.9
5
8
144.52
10
(2S,3R,4S,5S,6R)-2-[4-[(2R,3S,4S)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
522.50
0.6
6
11
167.53
9
(6aS,11aS)-8-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
522.50
6.2
2
7
90.52
5
Tocladesine
363.65
-1.6
3
10
164.65
1
3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
536.70
0.9
5
9
145.91
3
Amaralin
264.32
1.7
1
4
59.06
0
N-[1,2,10-trimethoxy-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
547.50
-1.1
5
11
173.24
7
Ergosinine
547.60
1.8
3
6
118.21
4
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]oxane-3,4,5-triol
552.50
-0.5
9
13
218.99
8
Zamamistatin
338.98
0.5
2
4
73.48
2
Traxillaside
564.60
1.8
4
12
162.6
11
Dendronobiloside A
564.70
0.2
8
12
198.76
9
Aeroplysinin I
338.98
0.5
2
4
73.48
2
Bruceajavanin A
568.70
5.8
0
7
91.43
6
Orthosiphol M
570.60
2.8
2
10
153.5
8
4,6,7-trimethoxy-9-[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-benzodioxol-5-yl]-1H-benzo[f][2]benzofuran-3-one
572.50
1.8
4
13
171.83
7
10-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-8-(2,4,5-trihydroxyphenyl)pyrano[3,2-g]chromen-6-one
572.70
9
4
7
120.36
8
Cerberin
576.70
2.7
2
9
120.75
6
(-)-Lyoniresinol 9'-O-glucoside
582.60
0.4
7
13
196.99
10
Bidebiline C
584.60
8.2
2
8
79.44
3
Malabaricone C
358.40
5.7
4
5
97.99
10
7-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
594.50
-0.4
8
15
238.2
8
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